The predicted toxicity for (5) and (8) using (a) the ProTox-II and (b) the Pred-hERG software.

Figshare2025-05-29 更新2026-04-28 收录

数据链接：

https://figshare.com/articles/dataset/The_predicted_toxicity_for_5_and_8_using_a_the_ProTox-II_and_b_the_Pred-hERG_software_/29187040 数据链接链接失效反馈

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资源简介：

The predicted toxicity for (5) and (8) using (a) the ProTox-II and (b) the Pred-hERG software.

创建时间：

2025-05-29

DrugMatrix

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化学物毒性预测

DrugMatrix是世界上最大的毒物基因组学参考资源数据库之一，包含600多种化合物的毒物基因组学谱数据。该数据库与ToxFX报告系统配合使用，可帮助用户快速创建完全注释的报告，提高毒理学评估效率，减少确定外源性物质潜在毒性所需的时间。DrugMatrix基因表达数据存储在Gene Expression Omnibus数据库中，包含多种微阵列数据。

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毒性检测试剂市场

化学物毒性预测

The report offers Toxicity Estimation Software Tools Market Dynamics, Comprises Industry development drivers, challenges, opportunities, threats and limitations. A report also incorporates Cost Trend

IMR REPORTS40

Anonymous-07/ChemSafetyBench

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大模型评估

ChemSafetyBench是一个基于法规的多标签GHS（全球统一制度）危害预测和LLM安全可靠性评估的基准数据集，包含32,614种化学物质。与以往基于药物数据库构建的分子基准不同，ChemSafetyBench源自一个经过筛选的有害物质注册表，确保覆盖现实世界工业和安全性关键的化学品，包括溶剂、反应性气体、农用化学品和重金属化合物等。每种物质都标注了分子结构表示（规范SMILES、InChI

Hugging Face2026-04-29 更新30

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In silico toxicity profiling of the ligands was done using the Protox-3 web server and Osiris Property Explorer. Only 15 compounds were predicted to show no or mild toxicity in Osiris Property Explore

NIAID Data Ecosystem70

Supplementary Materials I, II, III-"Chemometric QSAR Modeling of Acute Oral Toxicity of Polycyclic Aromatic Hydrocarbons (PAHs) to Rat Using Simple 2D Descriptors and Interspecies Toxicity Modeling with Mouse"

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8. Supplementary Materials-I-Table S1-S27.xlsx: This Excel file is the Supplementary Materials I of our article "Chemometric QSAR Modeling of Acute Oral Toxicity of Polycyclic Aromatic Hydrocarbons (

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The predicted toxicity for (5) and (8) using (a) the ProTox-II and (b) the Pred-hERG software.

资源简介：

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